SCHEMBL22010768

SCHEMBL22010768

COc1cc(Oc2ccc(C3=C[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]4C3)cc2)ccc1C#N

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 4/20 0.43
CDK9 P50750 4/20 0.43
AR P10275 3/20 0.43
BTK Q06187 3/20 0.38
RET P07949 7/20 0.38
GPR119 Q8TDV5 2/20 0.37
PDE4B Q07343 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22011512 1.00 CCNT1 (0.43) CCNT1CDK9ARBTKRET
SCHEMBL22010769 0.85 GPR119 (0.48) CCNT1CDK9ARBTKGPR119
SCHEMBL22010771 0.85 GPR119 (0.48) CCNT1CDK9ARBTKGPR119
SCHEMBL22010486 0.84 BTK (0.42) CCNT1CDK9BTKGPR119
SCHEMBL22010505 0.84 BTK (0.42) CCNT1CDK9BTKGPR119
SCHEMBL22010912 0.83 BTK (0.44) CCNT1CDK9BTKGPR119
SCHEMBL22011041 0.83 BTK (0.44) CCNT1CDK9BTKGPR119
SCHEMBL30161685 0.81 BTK (0.52) CCNT1CDK9BTKGPR119
SCHEMBL22010906 0.81 BTK (0.52) CCNT1CDK9BTKGPR119
SCHEMBL22010468 0.79 BTK (0.47) CCNT1CDK9BTKGPR119

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230035837-A1 ANTIBIOTIC COMPOUNDS, METHODS OF MANUFACTURING THE SAME, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND USES THEREOF DEBIOPHARM INTERNATIONAL S.A. (CH) 2023-02-02 US disclosed
WO-2020099341-A1 ANTIBIOTIC COMPOUNDS, METHODS OF MANUFACTURING THE SAME, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND USES THEREOF DEBIOPHARM INTERNATIONAL S.A. (CH) 2020-05-22 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230035837-A1 ANTIBIOTIC COMPOUNDS, METHODS OF MANUFACTURING THE SAME, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND USES THEREOF GMPS, GNE, GANC CCNT1 2969/4885CDK9 2753/4885AR 1075/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.